N-(5-bromo-2-pyridinyl)naphthalene-1-carboxamide

C16H11BrN2O — CID 593268

IUPACN-(5-bromo-2-pyridinyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1cccc2ccccc12
InChIInChI=1S/C16H11BrN2O/c17-12-8-9-15(18-10-12)19-16(20)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,18,19,20)
InChIKeyUJCUUCDYODTCMG-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.25
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)naphthalene-1-carboxamide

N-(5-bromo-2-pyridinyl)naphthalene-1-carboxamide (PubChem CID 593268) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)naphthalene-1-carboxamide
PubChem CID593268
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC NameN-(5-bromo-2-pyridinyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1cccc2ccccc12
InChIInChI=1S/C16H11BrN2O/c17-12-8-9-15(18-10-12)19-16(20)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,18,19,20)
InChIKeyUJCUUCDYODTCMG-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)naphthalene-1-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)naphthalene-1-carboxamide (CID 593268) is N-(5-bromo-2-pyridinyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)naphthalene-1-carboxamide is O=C(Nc1ccc(Br)cn1)c1cccc2ccccc12.
What is the InChIKey of N-(5-bromo-2-pyridinyl)naphthalene-1-carboxamide?
The InChIKey is UJCUUCDYODTCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-12-8-9-15(18-10-12)19-16(20)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,18,19,20).
What are the key properties of N-(5-bromo-2-pyridinyl)naphthalene-1-carboxamide?
N-(5-bromo-2-pyridinyl)naphthalene-1-carboxamide has a molecular weight of 327.18 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)naphthalene-1-carboxamide is sourced from PubChem (CID 593268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).